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Gaussian Job Archive for C44H64N8Si4Zn2
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
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InChI=1S/C32H28N6.2C6H18NSi2.2Zn/c1-5-13-29-25(9-1)21-33-17-18-34-23-27-11-3-7-15-31(27)38-32-16-8-4-12-28(32)24-36-20-19-35-22-26-10-2-6-14-30(26)37-29;2*1-8(2,3)7-9(4,5)6;;/h1-16,21-24H,17-20H2;2*1-6H3;;/q-6;2*-1;2*+4InChIKey=GYGNWWULHHUVHH-UHFFFAOYSA-N[Zn@]12(N3[CH]c4ccccc4N1c1ccccc1[CH]N2CCN1[CH]c2ccccc2N2c4ccccc4[CH]N(CC3)[Zn@]12N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)CC44H64N8Si4Zn2opt=calcfcrwb97xd/6-31g(d)scrf=(cpcm,solvent=thf)geom=nocrowdOrganic Chemistry
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